UCSF

ZINC40181408

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 9.11 -14.28 1 5 0 60 350.466 8
Mid Mid (pH 6-8) 3.26 9.98 -36.54 2 5 1 61 351.474 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )